Registration Dossier
Registration Dossier
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The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
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EC number: 203-801-5 | CAS number: 110-76-9
Henry's Law constant
Administrative data
- Endpoint:
- Henry's law constant
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Scientifically acceptable calculation method.
Data source
Referenceopen allclose all
- Reference Type:
- other: Calculation
- Title:
- Unnamed
- Year:
- 2 014
- Report date:
- 2014
- Reference Type:
- grey literature
- Title:
- Appendix R.7.1-2 pH correction of partition coefficients for ionisable substances
- Author:
- European Chemicals Agency
- Year:
- 2 008
- Bibliographic source:
- REACH Guidance Document R.7a. (version May 2008)
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Correction of pH for partition coefficients for ionisable substances according to REACH Guidance Document R.7a (version May 2008), Appendix R.7.1-2 (p.190).
- GLP compliance:
- no
Test material
- Reference substance name:
- 2-ethoxyethylamine
- EC Number:
- 203-801-5
- EC Name:
- 2-ethoxyethylamine
- Cas Number:
- 110-76-9
- Molecular formula:
- C4H11NO
- IUPAC Name:
- 2-ethoxyethylamine
- Details on test material:
- - Name of test material: 2-ethoxyethylamine
Constituent 1
Results and discussion
Henry's Law constant Hopen allclose all
- H:
- 0 Pa m³/mol
- Remarks on result:
- other: pH 5: 7.56E-07 Pa*m³/mol
- H:
- 0 Pa m³/mol
- Remarks on result:
- other: pH 7: 7.53E-05 Pa*m³/mol
- H:
- 0.005 Pa m³/mol
- Remarks on result:
- other: pH 9: 5.11E-03 Pa*m³/mol
Any other information on results incl. tables
The following input parameters were used for the calculation:
1. Test substance is a base
2. HLC of uncharged molecule: 1.58E-02 Pa·m³/mol (as estimated with the Bond Contribution Method (EPI Suite v4.11, 2014))
3. pKa: 9.32 (as estimated with SPARC v4.6).
The pKa of 9.32 indicates that this compound will exist predominantly in the cation form in the environment.
Applicant's summary and conclusion
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
